checkCIF procedure

PLAT926

 Please check whether the R1 value that is reported in the CIF corresponds  
 with the R1 value calculated from the parameters supplied in the CIF. See at
 the end of Section #10 in the '.ckf' report file for details.  This test is
 based on the observed reflection data in the FCF and reflection data that are
 calculated with the parameters (i.e. coordinates, displacement and weight
 parameters) taken from the CIF.